4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide

C24H22N4O2 — CID 55948136

IUPAC4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1
InChIInChI=1S/C24H22N4O2/c1-2-15-25-23(29)17-7-11-19(12-8-17)27-24(30)18-9-13-20(14-10-18)28-16-26-21-5-3-4-6-22(21)28/h3-14,16H,2,15H2,1H3,(H,25,29)(H,27,30)
InChIKeyZHRGZWKCHGLAQA-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.42
Rot. Bonds6

About 4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide

4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide (PubChem CID 55948136) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
PubChem CID55948136
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1
InChIInChI=1S/C24H22N4O2/c1-2-15-25-23(29)17-7-11-19(12-8-17)27-24(30)18-9-13-20(14-10-18)28-16-26-21-5-3-4-6-22(21)28/h3-14,16H,2,15H2,1H3,(H,25,29)(H,27,30)
InChIKeyZHRGZWKCHGLAQA-UHFFFAOYSA-N
XLogP4.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 24600085
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 78804591
4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 18150595
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide
CID 30332300
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide
CID 86822181
4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide
CID 24624881
4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948832
methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 87037290

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide (CID 55948136) is 4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1.
What is the InChIKey of 4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide?
The InChIKey is ZHRGZWKCHGLAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-2-15-25-23(29)17-7-11-19(12-8-17)27-24(30)18-9-13-20(14-10-18)28-16-26-21-5-3-4-6-22(21)28/h3-14,16H,2,15H2,1H3,(H,25,29)(H,27,30).
What are the key properties of 4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide?
4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide has a molecular weight of 398.47 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 55948136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).